CID 10899914

4,4-diethoxy-1,1,1-trifluorobut-3-en-2-one

Structural Information

Molecular Formula
C8H11F3O3
SMILES
CCOC(=CC(=O)C(F)(F)F)OCC
InChI
InChI=1S/C8H11F3O3/c1-3-13-7(14-4-2)5-6(12)8(9,10)11/h5H,3-4H2,1-2H3
InChIKey
JWDYGCDCWBPJCV-UHFFFAOYSA-N
Compound name
4,4-diethoxy-1,1,1-trifluorobut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

212.06602 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07330 141.6
[M+Na]+ 235.05524 148.8
[M-H]- 211.05874 137.8
[M+NH4]+ 230.09984 160.2
[M+K]+ 251.02918 148.3
[M+H-H2O]+ 195.06328 134.5
[M+HCOO]- 257.06422 159.2
[M+CH3COO]- 271.07987 186.2
[M+Na-2H]- 233.04069 144.2
[M]+ 212.06547 140.9
[M]- 212.06657 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe